Large Quantitative Models (LQMs)
LQMs are AI models that incorporate quantum equations to accurately simulate molecular behavior and predict material properties
LQMs go beyond Large Language Models (LLMs) by modeling real-world systems using principles of physics, chemistry, biology, and mathematics
LQMs enable rapid, high-accuracy digital simulations, reducing R&D cycles for new materials from years to months or weeks
These models can search vast chemical spaces and generate molecules with desired properties, supporting generative chemistry applications
LQMs produce synthetic data from simulations, which is used to further train and improve their predictive capabilities
In alloy discovery, LQMs helped identify five high-performing alloys from 7,000+ candidates, reducing weight and use of conflict minerals
For batteries, LQMs cut end-of-life prediction time by 95% and improved accuracy, potentially reducing battery development time by up to four years
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